[(2S)-3-(3-methoxycarbonylphenoxy)-2-oxidanyl-propyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(2S)-3-(3-methoxycarbonylphenoxy)-2-oxidanyl-propyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-3-(3-carbomethoxyphenoxy)-2-hydroxy-propyl]ammonium Formula: C23H32N2O4+2 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC[C@H](C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O4/c1-28-23(27)19-8-5-9-22(14-19)29-17-21(26)15-24-20-10-12-25(13-11-20)16-18-6-3-2-4-7-18/h2-9,14,20-21,24,26H,10-13,15-17H2,1H3/p+2/t21-/m0/s1